Crystallography Open Database

Information card for entry 7234530

Preview

Coordinates	7234530.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-Fluoro-6-(pyrazol-1-yl)pyridine
Formula	C8 H6 F N3
Calculated formula	C8 H6 F N3
Title of publication	An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent
Authors of publication	Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	42
Pages of publication	6330
a	4.0393 ± 0.0001 Å
b	11.2187 ± 0.0004 Å
c	16.2922 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	738.29 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223554 (current)	2019-11-07	cif/ Updating files of 7234530, 7234531, 7234532, 7234533, 7234534, 7234535 Original log message: Adding full bibliography for 7234530--7234535.cif.	7234530.cif
219265	2019-10-11	cif/ Adding structures of 7234530, 7234531, 7234532, 7234533, 7234534, 7234535 via cif-deposit CGI script.	7234530.cif